CID 137698588

Ethyl 2-cyclopropanecarbonyl-4-cyclopropyl-4-oxobutanoate

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)C(CC(=O)C1CC1)C(=O)C2CC2
InChI
InChI=1S/C13H18O4/c1-2-17-13(16)10(12(15)9-5-6-9)7-11(14)8-3-4-8/h8-10H,2-7H2,1H3
InChIKey
GAPWDXROWIXFRP-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclopropanecarbonyl)-4-cyclopropyl-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 159.5
[M+Na]+ 261.109728 164.8
[M-H]- 237.113234 166.1
[M+NH4]+ 256.154333 165.8
[M+K]+ 277.083668 163.0
[M+H-H2O]+ 221.117770 153.5
[M+HCOO]- 283.118711 176.7
[M+CH3COO]- 297.134361 203.8
[M+Na-2H]- 259.095176 158.1
[M]+ 238.11996142 165.4
[M]- 238.12105858 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.